Figure 9
Van derWaals interaction energy between Mincle and ligands. (a) Average interaction energy observed for the acyl moieties of different ligands. (b) Correlation between the number of carbon atoms and the interaction energy. The fit was performed for the C4 to C12 monoesters from both simulation runs. (c,d) Interaction energy of the individual CH2 groups of the acyl chains in (c) monoesters and (d) the 2 × C18 diester. Energies were averaged over both simulation runs.
